benzyl hexanoate
benzyl caproate
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      6938-45-0 Benzyl Hexanoate
       
  • Penta International
    • Penta International Corporation
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      Product(s):
      02-21850 BENZYL HEXANOATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      W2203 Benzyl Caproate
       
  • Ernesto Ventós
  • WholeChem
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      Benzyl Hexanoate
       
Synonyms   Articles   Notes   Search
CAS Number: 6938-45-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 230-068-9
FDA UNII: U7PS33DRSK
Nikkaji Web: J141.581F
MDL: MFCD00672787
CoE Number: 10521
XlogP3: 3.90 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 2061  benzyl hexanoate
DG SANTE Food Flavourings: 09.316  benzyl hexanoate
FEMA Number: 4026 benzyl hexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):6938-45-0 ; BENZYL HEXANOATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97800 to 0.98500 @  25.00 °C.
Pounds per Gallon - (est).: 8.138 to  8.196
Refractive Index: 1.48600 to 1.49200 @  20.00 °C.
Boiling Point: 270.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 4.036 (est)
Soluble in:
 alcohol
 water, 14.26 mg/L @ 25 °C (est)
Similar Items: note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
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Organoleptic Properties:
 
Odor Type: green
 
 green  apricot  fruity  gardenia  jasmin  
Odor Description:
at 100.00 %. 
green apricot fruity gardenia jasmin
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Benzyl Hexanoate
Ernesto Ventós
BENZYL HEXANOATE
Odor: SWEET,APRICOT,FLORAL,SLIGHT GREEN
Inoue Perfumery
BENZYL HEXANOATE
Parchem
benzyl hexanoate
Penta International
BENZYL HEXANOATE
Synerzine
Benzyl Caproate
WholeChem
Benzyl Hexanoate
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for benzyl hexanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.75 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 1.000005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf
Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf
Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 23367
National Institute of Allergy and Infectious Diseases: Data
 benzyl hexanoate
Chemidplus: 0006938450
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References:
 benzyl hexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 6938-45-0
Pubchem (cid): 23367
Pubchem (sid): 134987528
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32176
FooDB: FDB009017
Export Tariff Code: 2915.90.0000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Benzyl hexanoate
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
animal
para-cresyl isobutyrateFL/FR
balsamic
 fir carboxylateFR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 anise indeneFR
 citronellyl propionateFL/FR
2-para-cresyl oxyethyl acetateFR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
 frangipani specialtyFR
 gardenia oxideFR
(E)-geranyl acetoneFL/FR
 kewada oil replacerFR
 kewda fragranceFR
 kewda oilCS
 lily propanolFR
 nyctanthes arbor-tristis flower oilFR
 papaya isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl propionateFL/FR
 amyl hexanoateFL/FR
para-anisyl valerateFL/FR
 apricot isobutyrateFR
 apricot mango fragranceFR
 benzyl heptanoateFL/FR
 berry pentadienoateFL/FR
2-butanolFL/FR
 butyl 2-methyl butyrateFL/FR
 decen-1-yl cyclopentanoneFL/FR
 dihydroactinidolideFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
(R)-delta-dodecalactoneFL/FR
gamma-dodecalactoneFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
 geranyl isovalerateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
beta-ionyl ethyl etherFR
 linalyl hexanoateFL/FR
 methyl valerateFL/FR
4-phenyl-2-butyl acetateFL/FR
 propyl butyrateFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 cognac heptanoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
isogreen methanoindeneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
2-hexenyl acetateFL/FR
 hexyl (Z)-tiglateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
herbal
 tricyclodecyl acetateFR
sulfurous
 buchu mercaptanFL/FR
waxy
9-decenoic acidFL/FR
(E)-methyl geranateFL/FR
woody
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 allyl tiglateFL
para-anisyl valerateFL/FR
 benzyl heptanoateFL/FR
2-butanolFL/FR
 dihydroactinidolideFL/FR
(R)-delta-dodecalactoneFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
(E,E)-2,4-heptadien-1-olFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (Z)-tiglateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
4-phenyl-2-butyl acetateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
(E)-tiglaldehydeFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 allyl propionateFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
earthy
1-hexen-3-yl acetateFL
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
fruity
 amyl hexanoateFL/FR
 berry pentadienoateFL/FR
 butyl 2-methyl butyrateFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
gamma-dodecalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-furyl pentyl ketoneFL
 hexanal propylene glycol acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
 methyl valerateFL/FR
 propyl butyrateFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
3-decen-2-oneFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
 thiogeraniolFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
waxy
9-decenoic acidFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 acaciaFR
 agrumen aldehydeFR
 algaeFR
 amaryllisFR
 apple green appleFR
 apricotFR
 artichokeFL
 asafoetidaFL/FR
 asparagusFL
 avocadoFR
 basil oil replacerFR
 boxwoodFR
 boxwood blossomFR
 boxwood berryFR
 brandy apricot brandyFL
 cajeputFL/FR
 carrotFL
 carrot seedFL/FR
 celeryFR
 chamomileFR
 cilantroFL/FR
 clary sage oil replacerFR
 clematisFR
 cognacFR
 cortexFR
 costusFR
 cucumberFR
 currant bud absolute replacerFL/FR
 daffodilFR
 evergreenFR
 fennelFR
 fernFR
 figFR
 fir 
 foliageFR
 frangipani plumeriaFR
 galbanumFR
 gardeniaFR
 greenFR
 green grassFR
 green leafFR
 guavaFR
 hopFR
 hyacinthFR
 hydrangeaFR
 ivyFR
 jonquilFR
 leaf 
 lotusFR
 marjoramFL/FR
 mimosaFR
 narcissusFR
 pansyFR
 parsley leafFL/FR
 pear prickly pearFL
 pepper bell pepperFL
 pine scotch pineFL/FR
 privetFR
 privet blossomFR
 resedaFR
 rhubarbFR
 rose geraniumFR
 rose leafFL/FR
 stem 
 strawberry leaf 
 vegetableFL
 weedy 
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Occurrence (nature, food, other): note
 heracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
Data  GC  Search Trop  Picture
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Synonyms:
 benzyl caproate
 benzyl N-hexanoate
 hexanoic acid benzyl ester
 hexanoic acid phenyl methyl ester
 hexanoic acid, phenylmethyl ester
 phenylmethyl hexanoate
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